Identitet

Beta-Elemene

Inte angivet · C15H24

01Identitet

Lazychem IDLC-83608
CAS RNInte angivet
PubChem CID6918391
Molecular formulaC15H24
Molecular weight204.35 g/mol
IUPAC name(1S,2S,4R)-1-ethenyl-1-methyl-2,4-bis(prop-1-en-2-yl)cyclohexane
InChIKeyOPFTUNCRGUEPRZ-QLFBSQMISA-N

02Struktur och stereokemi

2D structurePubChem CID 6918391
Two-dimensional chemical structure of Beta-Elemene
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count1
Secondary amines0
Tertiary amines0
SMILESCC(=C)[C@@H]1CC[C@@]([C@@H](C1)C(=C)C)(C)C=C
InChIInte angivet

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namn och relationer

API och moderläkemedel

Inte angivet

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      06Källor